ethyl 2-[6-butyl-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-butyl-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-(isoxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[5-isoxazolyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-(1,2-oxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(isoxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=NO3)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=NO3)S2)CC(=O)OCC

InChI

InChI=1S/C19H21N3O4S/c1-3-5-6-13-7-8-14-16(11-13)27-19(22(14)12-17(23)25-4-2)21-18(24)15-9-10-20-26-15/h7-11H,3-6,12H2,1-2H3